BAS 01108700
TL;DR: BAS 01108700 (CAS 332098-94-9) is a chemical compound with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide
Also Known As: BAS 01108700, AB00684275-01, AB00684275-02, F0404-0042, 2-((3-methyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide
| Molecular Formula | C18H19N5O3S |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 1.7302 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.12085 |
| Heavy Atoms | 27 |
| Complexity | 1127.59 |
Chemical Identifiers
| CAS Number | 332098-94-9 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
BAS 01108700 (CAS 332098-94-9), with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol. IUPAC: 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide.
Chemical Property Profile of BAS 01108700
Property Insights of BAS 01108700
The XLogP value of 1.7302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108700. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108700. Following Lipinski's Rule of Five, BAS 01108700 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01108700?
The CAS number of BAS 01108700 is 332098-94-9.
What is the molecular formula of BAS 01108700?
The molecular formula of BAS 01108700 is C18H19N5O3S.
What is the molecular weight of BAS 01108700?
The molecular weight of BAS 01108700 is 385.12 g/mol.
Where can I buy BAS 01108700?
You can request a quote for BAS 01108700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108700?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.